CID 64981658

2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H9NO3S
SMILES
C1CC(OC1)C2=NC=C(S2)C(=O)O
InChI
InChI=1S/C8H9NO3S/c10-8(11)6-4-9-7(13-6)5-2-1-3-12-5/h4-5H,1-3H2,(H,10,11)
InChIKey
MEPUJIXKIDJYNN-UHFFFAOYSA-N
Compound name
2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

199.03032 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03760 141.3
[M+Na]+ 222.01954 149.3
[M-H]- 198.02304 146.7
[M+NH4]+ 217.06414 161.2
[M+K]+ 237.99348 148.8
[M+H-H2O]+ 182.02758 136.2
[M+HCOO]- 244.02852 157.7
[M+CH3COO]- 258.04417 176.1
[M+Na-2H]- 220.00499 141.0
[M]+ 199.02977 142.2
[M]- 199.03087 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe